tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate

C19H28N4O3 — CID 118214745

IUPACtert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc2ccn(C)c2cc1N1CCC(O)C1
InChIInChI=1S/C19H28N4O3/c1-12(20-18(25)26-19(2,3)4)17-16(23-9-6-13(24)11-23)10-15-14(21-17)7-8-22(15)5/h7-8,10,12-13,24H,6,9,11H2,1-5H3,(H,20,25)/t12-,13?/m0/s1
InChIKeyFVTYZCUIBFZFHK-UEWDXFNNSA-N
MW360.46 g/mol
LogP2.73
Rot. Bonds3

About tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate (PubChem CID 118214745) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
PubChem CID118214745
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nametert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc2ccn(C)c2cc1N1CCC(O)C1
InChIInChI=1S/C19H28N4O3/c1-12(20-18(25)26-19(2,3)4)17-16(23-9-6-13(24)11-23)10-15-14(21-17)7-8-22(15)5/h7-8,10,12-13,24H,6,9,11H2,1-5H3,(H,20,25)/t12-,13?/m0/s1
InChIKeyFVTYZCUIBFZFHK-UEWDXFNNSA-N
XLogP2.73
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(1S)-1-[6-[3-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
CID 118214741
tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
CID 123780941
tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
CID 123956691
tert-butyl N-[1-[8-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-3-yl]ethyl]carbamate
CID 123560504
tert-butyl N-(1-phenanthridin-6-ylethyl)carbamate
CID 141472588
tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
CID 130470626
tert-butyl N-[1-(5-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 123348346
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
CID 67124246
tert-butyl 4-[5-[[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]methyl]-1-methylpyrrolo[3,2-b]pyridin-6-yl]-2-methylpiperazine-1-carboxylate;ethane
CID 144886017
tert-butyl 4-[[5-[(1S)-1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]ethyl]-1-methylpyrrolo[3,2-b]pyridin-6-yl]amino]piperidine-1-carboxylate
CID 118214760
tert-butyl N-[(S)-cyclopropyl-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]carbamate
CID 171608026
tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 165085489

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate (CID 118214745) is tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1nc2ccn(C)c2cc1N1CCC(O)C1.
What is the InChIKey of tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
The InChIKey is FVTYZCUIBFZFHK-UEWDXFNNSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-12(20-18(25)26-19(2,3)4)17-16(23-9-6-13(24)11-23)10-15-14(21-17)7-8-22(15)5/h7-8,10,12-13,24H,6,9,11H2,1-5H3,(H,20,25)/t12-,13?/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate has a molecular weight of 360.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate is sourced from PubChem (CID 118214745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).